# generated using pymatgen
data_CrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.34164016
_cell_length_b   8.83055694
_cell_length_c   5.93869085
_cell_angle_alpha   90.00000000
_cell_angle_beta   99.11128077
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN2
_chemical_formula_sum   'Cr8 N16'
_cell_volume   380.15210391
_cell_formula_units_Z   8
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cr  Cr0  1  0.30092800  0.99969900  0.71868600  1
  Cr  Cr1  1  0.69907200  0.99969900  0.28131400  1
  Cr  Cr2  1  0.74663900  0.12186400  0.78915200  1
  Cr  Cr3  1  0.25336100  0.12186400  0.21084800  1
  Cr  Cr4  1  0.80092800  0.49969900  0.71868600  1
  Cr  Cr5  1  0.19907200  0.49969900  0.28131400  1
  Cr  Cr6  1  0.24663900  0.62186400  0.78915200  1
  Cr  Cr7  1  0.75336100  0.62186400  0.21084800  1
  N  N8  1  0.19049200  0.02178600  0.43963300  1
  N  N9  1  0.80950800  0.02178600  0.56036700  1
  N  N10  1  0.32471100  0.81213600  0.76005100  1
  N  N11  1  0.67528900  0.81213600  0.23994900  1
  N  N12  1  0.18050500  0.06429900  0.92822800  1
  N  N13  1  0.81949500  0.06429900  0.07177200  1
  N  N14  1  0.48280600  0.10410500  0.24771900  1
  N  N15  1  0.51719400  0.10410500  0.75228100  1
  N  N16  1  0.69049200  0.52178600  0.43963300  1
  N  N17  1  0.30950800  0.52178600  0.56036700  1
  N  N18  1  0.82471100  0.31213600  0.76005100  1
  N  N19  1  0.17528900  0.31213600  0.23994900  1
  N  N20  1  0.68050500  0.56429900  0.92822800  1
  N  N21  1  0.31949500  0.56429900  0.07177200  1
  N  N22  1  0.98280600  0.60410500  0.24771900  1
  N  N23  1  0.01719400  0.60410500  0.75228100  1
